Information card for entry 7023758

Structure parameters

• Formula: C36 H48 Cl2 Rh2 S2
• Calculated formula: C36 H48 Cl2 Rh2 S2
• SMILES: [c]12([c]3([c]4([c]5([c]1(C)[Rh]12345([S](CCc2ccccc2)[Rh]2345([c]6([c]5([c]4([c]3([c]26C)C)C)C)C)([S]1CCc1ccccc1)Cl)Cl)C)C)C)C
• Title of publication: Synthesis, molecular structure, computational study and in vitro anticancer activity of dinuclear thiolato-bridged pentamethylcyclopentadienyl Rh(iii) and Ir(iii) complexes.
• Authors of publication: Gupta, Gajendra; Garci, Amine; Murray, Benjamin S.; Dyson, Paul J.; Fabre, Gabin; Trouillas, Patrick; Giannini, Federico; Furrer, Julien; Süss-Fink, Georg; Therrien, Bruno
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 43
• Pages of publication: 15457 - 15463
• a: 21.115 ± 0.004 Å
• b: 17.085 ± 0.003 Å
• c: 20.881 ± 0.004 Å
• α: 90°
• β: 103.72 ± 0.03°
• γ: 90°
• Cell volume: 7318 ± 3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0873
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.0651
• Weighted residual factors for all reflections included in the refinement: 0.0774
• Goodness-of-fit parameter for all reflections included in the refinement: 0.764
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No